- InChI
- InChI=1S/C22H36O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h10,15,17-19H,6-9,11-14H2,1-5H3/t15-,17?,18?,19?,21+,22+/m0/s1
- InChI Key
- FTJRQNVOFZLCBH-YFJQCNEPSA-N
- Formula
- C22H36O2Si
- SMILES
-
CC12CCC3C(CCC4CC(O[Si](C)(C)C)
=CCC43C)C1CCC2=O - Molecular Weight1
- 360.61
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5203 | Relay (... Calculated Property | |
| ΔfG° | 56.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -579.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -5.53 | Relay (... Calculated Property | |
| logPoct/wat | 5.944 | Crippen Calculated Property | |
| Pc | 716.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2497.00; 2510.00] |
|
|
| Inp | 2497.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 642.87 | K | Relay (... Calculated Property |
| Tc | 912.98 | K | Relay (... Calculated Property |
| Tfus | 396.53 | K | Relay (... Calculated Property |
| Vc | 1.117 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Androstane-3,17-dione, mono-TMS, (2-en).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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